1-[4-(methylsulfanylmethyl)phenyl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(methylsulfanylmethyl)phenyl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[4-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[4-(methylsulfanylmethyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[4-[(methylthio)methyl]benzoyl]proline Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C14H17NO4S/c1-20-8-9-2-4-10(5-3-9)13(17)15-7-11(16)6-12(15)14(18)19/h2-5,11-12,16H,6-8H2,1H3,(H,18,19)